Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50122705
Substrate
n/a
Meas. Tech.
ChEMBL_65652 (CHEMBL678072)
Ki
0.440±n/a nM
Citation
Murugesan, N; Gu, Z; Spergel, S; Young, M; Chen, P; Mathur, A; Leith, L; Hermsmeier, M; Liu, EC; Zhang, R; Bird, E; Waldron, T; Marino, A; Koplowitz, B; Humphreys, WG; Chong, S; Morrison, RA; Webb, ML; Moreland, S; Trippodo, N; Barrish, JC Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem 46:125-37 (2002) [PubMed] Article
More Info.:
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA | EDNRA_HUMAN | ET-A | ETA | ETA-R | ETRA | Endothelin receptor type A | Endothelin receptor, ET-A/ET-B | hET-AR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48736.88
Organism:
Human
Description:
P25101
Residue:
427
Sequence:
METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
Inhibitor
Name:
BDBM50122705
Synonyms:
2-Cyclohexyl-N-[2'-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-ylmethyl]-N-methyl-acetamide | CHEMBL29652
Type:
Small organic molecule
Emp. Form.:
C30H34N4O5S
Mol. Mass.:
562.68
SMILES:
CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CC1CCCCC1